About this Abstract |
Meeting |
6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
|
Symposium
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6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
|
Presentation Title |
Holistic Integration of Experimental and Computational Approaches and Data for Rapid Establishment of Diffusion Databases for ICME |
Author(s) |
Ji-Cheng Zhao, Wei Zhong |
On-Site Speaker (Planned) |
Ji-Cheng Zhao |
Abstract Scope |
Substantial progresses have been made in recent years on both experimental measurements and computational predictions of diffusion coefficients. On the experimental front, diffusion multiples and liquid-solid diffusion couples together with forward-simulation analysis provide efficient and reliable determination of both impurity (dilute) diffusion and interdiffusion coefficients. Calculated diffusion coefficients based on density functional theory have also demonstrated impressive reliability, especially for the activation energy values. This talk will illustrate a novel approach to establish reliable diffusion coefficient (atomic mobility) databases by holistically integrating both experimental and computed data. This approach together with more reliable diffusion coefficient models will allow more reliable diffusion databases to be established rapidly for ICME simulations. |
Proceedings Inclusion? |
Definite: Other |